PROBLEM TO BE SOLVED: To more efficiently elucidate a binding site of a polymer compound and an evaluation target compound than before, and to improve the credibility of the binding site of the polymer compound and the evaluation target compound than before.SOLUTION: There is provided a method for evaluating bonding of the evaluation target molecule to a polymer compound based on numerical calculation, specifying which atoms of the polymer compound is bonded to which atoms of the evaluation target molecule based on the degree of electron-accepting property and electron-donating property of each atom forming the evaluation target molecule.COPYRIGHT: (C)2013,JPO&INPIT【課題】高分子化合物と評価対象化合物との結合部位を従来よりも効率良く解明すると供に、高分子化合物と評価対象化合物との結合位置の信憑性を従来よりも向上させる。【解決手段】高分子化合物に対する評価対象分子の結合を数値計算に基づいて評価する方法であって、評価対象分子を構成する各原子の電子受容性及び電子供与性の度合いに基づいて高分子化合物のどの原子と評価対象分子のどの原子とが結合するかを特定する。【選択図】図1
